CID 3010127

128346-46-3

Structural Information

Molecular Formula
C13H24N
SMILES
C[N+](C)(C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1
InChIKey
KKXBPUAYFJQMLN-UHFFFAOYSA-N
Compound name
1-adamantyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1742
Patents

194.19087 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.19815 145.9
[M+Na]+ 217.18009 147.6
[M-H]- 193.18359 142.9
[M+NH4]+ 212.22469 172.6
[M+K]+ 233.15403 140.3
[M+H-H2O]+ 177.18813 142.8
[M+HCOO]- 239.18907 153.6
[M+CH3COO]- 253.20472 192.2
[M+Na-2H]- 215.16554 160.3
[M]+ 194.19032 144.7
[M]- 194.19142 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe